BDBM50146481 3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(3-benzyl-ureido)-phenyl]-5-oxo-pyrrolidine-3-carbonyl}-amino)-propionic acid::CHEMBL99709

SMILES: OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1ccc2OCOc2c1

InChI Key: InChIKey=RWBOWRDCKZVMOU-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50146481   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50146481 (3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(3-benzyl-ureido)...) Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28N4O7/c34-26-12-20(28(37)32-23(14-27(35)36)19-9-10-24-25(11-19)40-17-39-24)16-33(26)22-8-4-7-21(13-22)31-29(38)30-15-18-5-2-1-3-6-18/h1-11,13,20,23H,12,14-17H2,(H,32,37)(H,35,36)(H2,30,31,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).				Bioorg Med Chem Lett 14: 2905-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.033 BindingDB Entry DOI: 10.7270/Q2416WJD
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